[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene

C16H20O — CID 130196435

IUPAC[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene
SMILESCC(C)CC1C=CC(Oc2ccccc2)=CC1
InChIInChI=1S/C16H20O/c1-13(2)12-14-8-10-16(11-9-14)17-15-6-4-3-5-7-15/h3-8,10-11,13-14H,9,12H2,1-2H3
InChIKeyNUPNOIKEMYTRPF-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.57
Rot. Bonds4

About [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene

[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene (PubChem CID 130196435) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene.

Molecular Properties

Compound Name[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene
PubChem CID130196435
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene
SMILESCC(C)CC1C=CC(Oc2ccccc2)=CC1
InChIInChI=1S/C16H20O/c1-13(2)12-14-8-10-16(11-9-14)17-15-6-4-3-5-7-15/h3-8,10-11,13-14H,9,12H2,1-2H3
InChIKeyNUPNOIKEMYTRPF-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene
CID 163764485
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
CID 143624707
2-methylpropylalumane;phenoxybenzene
CID 175332476
cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
CID 163631919
1-[4-(4-benzoylcyclohexa-1,5-dien-1-yl)oxyphenyl]-2-methylprop-2-en-1-one
CID 123619830
1-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)oxyphenoxy]benzoyl]phenyl]ethanone
CID 145108825
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
(2Z,4Z)-cycloocta-2,4,7-trien-1-amine;methanol;5-phenoxycyclohepta-1,4,6-trien-1-amine
CID 177034327

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene?
The IUPAC name of [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene (CID 130196435) is [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene.
What is the SMILES notation for [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene?
The canonical SMILES for [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene is CC(C)CC1C=CC(Oc2ccccc2)=CC1.
What is the InChIKey of [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene?
The InChIKey is NUPNOIKEMYTRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-13(2)12-14-8-10-16(11-9-14)17-15-6-4-3-5-7-15/h3-8,10-11,13-14H,9,12H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene?
[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene has a molecular weight of 228.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene is sourced from PubChem (CID 130196435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).